Cas no 27068-07-1 (Benzenaminium,N,N,N-triethyl-3-hydroxy-, bromide (1:1))
27068-07-1 structure
Product Name:Benzenaminium,N,N,N-triethyl-3-hydroxy-, bromide (1:1)
CAS No:27068-07-1
MF:C12H20BrNO
MW:274.197302818298
CID:277310
PubChem ID:33681
Update Time:2025-04-19
Benzenaminium,N,N,N-triethyl-3-hydroxy-, bromide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenaminium,N,N,N-triethyl-3-hydroxy-, bromide (1:1)
- triethyl-(3-hydroxyphenyl)azanium,bromide
- (3-Hydroxyphenyl)triethylammonium bromide
- 27068-07-1
- AMMONIUM, (3-HYDROXYPHENYL)TRIETHYL-, BROMIDE
- Ro 2-3709
-
- Inchi： 1S/C12H19NO.BrH/c1-4-13(5-2,6-3)11-8-7-9-12(14)10-11;/h7-10H,4-6H2,1-3H3;1H
- InChI Key： TVKWFYUSFZSPTC-UHFFFAOYSA-N
- SMILES： [Br-].OC1=CC=CC(=C1)[N+](CC)(CC)CC
Computed Properties
- Exact Mass: 194.154
- Monoisotopic Mass: 194.154
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 157
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2A^2
Experimental Properties
- LogP: 4.15550
Benzenaminium,N,N,N-triethyl-3-hydroxy-, bromide (1:1) Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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